UPCMLD0ENAT0513-5942:001
TL;DR: UPCMLD0ENAT0513-5942:001 (CAS 496024-19-2) is a chemical compound with molecular formula C21H15F2N3O3S2 and molecular weight 459.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,6-difluorophenyl)-2-[5-(furan-2-yl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide
Also Known As: UPCMLD0ENAT0513-5942:001, N-(2,6-difluorophenyl)-2-{[5-(furan-2-yl)-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide, N-(2,6-difluorophenyl)-2-(5-(2-furyl)-4-oxo-3-prop-2-enyl(3-hydrothiopheno[2,3 -d]pyrimidin-2-ylthio))acetamide, N-(2,6-difluorophenyl)-2-[5-(furan-2-yl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide
| Molecular Formula | C21H15F2N3O3S2 |
|---|---|
| Molecular Weight | 459.05 g/mol |
| LogP | 4.913 |
| Topological Polar Surface Area | 77.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 459.05228 |
| Heavy Atoms | 31 |
| Complexity | 1309.6422 |
Chemical Identifiers
| CAS Number | 496024-19-2 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(N=C1SCC(=O)NC3=C(C=CC=C3F)F)SC=C2C4=CC=CO4 |
Product Overview
UPCMLD0ENAT0513-5942:001 (CAS 496024-19-2), with molecular formula C21H15F2N3O3S2 and molecular weight 459.05 g/mol. IUPAC: N-(2,6-difluorophenyl)-2-[5-(furan-2-yl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide.
Chemical Property Profile of UPCMLD0ENAT0513-5942:001
Property Insights of UPCMLD0ENAT0513-5942:001
The XLogP value of 4.913 indicates that UPCMLD0ENAT0513-5942:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.13 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT0513-5942:001. Following Lipinski's Rule of Five, UPCMLD0ENAT0513-5942:001 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of UPCMLD0ENAT0513-5942:001?
The CAS number of UPCMLD0ENAT0513-5942:001 is 496024-19-2.
What is the molecular formula of UPCMLD0ENAT0513-5942:001?
The molecular formula of UPCMLD0ENAT0513-5942:001 is C21H15F2N3O3S2.
What is the molecular weight of UPCMLD0ENAT0513-5942:001?
The molecular weight of UPCMLD0ENAT0513-5942:001 is 459.05 g/mol.
Where can I buy UPCMLD0ENAT0513-5942:001?
You can request a quote for UPCMLD0ENAT0513-5942:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT0513-5942:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT0513-5942:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.